SCHEMBL6177323

SCHEMBL6177323

CC(C)(C)OC(=O)COc1ccc(CC2SC(=O)N(C(c3ccccc3)(c3ccccc3)c3ccccc3)C2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.45
PPARG P37231 8/20 0.41
MAPT P10636 3/20 0.38
CYP2C9 P11712 2/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MCL1 Q07820 1/20 0.38
KDM4E B2RXH2 1/20 0.36
PLA2G10 O15496 1/20 0.36
PLA2G5 P39877 1/20 0.36
MPC2 O95563 1/20 0.36
CYP2C8 P10632 1/20 0.36
HTT P42858 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1130749 0.90 PPARG (0.47) PTPN1PPARGMAPTCYP2C9POLB
SCHEMBL8857154 0.88 PPARG (0.43) PPARGMAPTCYP2C9MCL1KDM4E
SCHEMBL8309388 0.88 PPARG (0.44) PPARGMAPTCYP2C9MCL1KDM4E
SCHEMBL8405115 0.83 MTNR1A (0.38) PTPN1PPARG
SCHEMBL8405118 0.83 MTNR1A (0.38) PTPN1PPARG
SCHEMBL8304179 0.81 MCL1 (0.41) PPARGMAPTPOLBNPSR1MCL1
SCHEMBL8306634 0.81 CTRB1 (0.41) NPSR1MEN1KMT2A
SCHEMBL27516237 0.78 MAPT (0.51) PPARGMAPTCYP2C9LMNAPOLB
SCHEMBL7834863 0.75 KDM4E (0.34) PPARGMAPTMCL1KDM4EMEN1
SCHEMBL8668616 0.75 PPARG (0.34) PPARGMCL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1607385-A1 Intermediates for the synthesis of benzimidazole compounds and process for the preparation thereof Sankyo Company Limited (JP) 2005-12-21 EP disclosed
US-6753347-B2 CONDENSATION OF AMINE DERIVATIVE WITH CARBOXYLIC ACID DERIVATIVES TO AFFORD INTERMEDIATE COMPOUND, FOLLOWED BY CYCLIZATION OF INTERMEDIATE COMPOUND IN PRESENCE OF ACID; HYOPOGLYCEMIC ACTION SANKYO COMPANY, LIMITED (JP) 2004-06-22 US disclosed
US-20030199580-A1 Intermediates for the synthesis of benzimidazole derivatives and a process for the preparation thereof SANKYO COMPANY, LIMITED (JP) 2003-10-23 US disclosed
US-6569877-B2 Benzimidazolyl phenyl anticancer agents SANKYO COMPANY, LIMITED (JP) 2003-05-27 US disclosed
US-6525220-B2 Having hypoglycemic action SANKYO COMPANY, LIMITED (JP) 2003-02-25 US disclosed
US-20030008907-A1 Intermediates for the synthesis of benzimidazole derivatives and a process for the preparation thereof SANKYO COMPANY, LIMITED (JP) 2003-01-09 US disclosed
US-20020137776-A1 Therapeutic and prophylactic agents for neoplasms SANKYO COMPANY, LIMITED (JP) 2002-09-26 US disclosed
EP-1197211-A1 PREVENTIVE AND THERAPEUTIC AGENTS FOR CANCER Sankyo Company, Limited (JP) 2002-04-17 EP disclosed
EP-1191019-A1 INTERMEDIATES FOR THE SYNTHESIS OF BENZIMIDAZOLE COMPOUNDS AND PROCESS FOR THE PREPARATION THEREOF Sankyo Company, Limited (JP) 2002-03-27 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020137776-A1 Therapeutic and prophylactic agents for neoplasms VHL, TP53, BRCA1 PTPN1 2768/4885PPARG 1300/4885MAPT 3901/4885
US-20030008907-A1 Intermediates for the synthesis of benzimidazole derivatives and a process for the preparation thereof H1-4, H1-3, GCK PTPN1 4603/4885PPARG 1269/4885MAPT 4674/4885
US-20030199580-A1 Intermediates for the synthesis of benzimidazole derivatives and a process for the preparation thereof H1-4, H1-3, GCK PTPN1 4603/4885PPARG 1269/4885MAPT 4674/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.